SCHEMBL20001489

SCHEMBL20001489

CCCc1n[nH]c2ccc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.48
MAPK1 P28482 5/20 0.47
MAPKAPK3 Q16644 5/20 0.47
MAPK6 Q16659 5/20 0.47
MAPKAPK2 P49137 4/20 0.47
MAPKAPK5 Q8IW41 3/20 0.47
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
ITK Q08881 3/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
FADS1 O60427 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
CHEK1 O14757 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7740374 0.90 MAPT (0.50) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL7352631 0.86 MAP2K4 (0.50) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL27750994 0.85 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1144803 0.81 PDPK1 (0.54) MAPTFADS1HTR2A
SCHEMBL12881956 0.81 HTR6 (0.44) TSHRFADS1HPGDHTR2ACHEK1
SCHEMBL7224642 0.81 MAPK1 (0.43) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL5952447 0.81 MAP2K4 (0.60) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL21575781 0.79 PRMT5 (0.49) HSD17B10TSHRALDH1A1
SCHEMBL17253668 0.79 MAPT (0.47) HSD17B10TSHRITKMAPTFADS1
SCHEMBL17229303 0.78 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959984-B2 Methods for treating cancer with RORγ inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-30 US disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC MAP2K4 2695/4885MAPK1 3747/4885MAPKAPK3 1687/4885
US-10959984-B2 Methods for treating cancer with RORγ inhibitors RORB, RORC, RORA MAP2K4 3134/4885MAPK1 3881/4885MAPKAPK3 2255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.